USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 398 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 LYS NZ :NH3+ -137:sc= -0.604 (180deg=-3.51!) USER MOD Set 1.2: A 76 THR OG1 : rot -155:sc= -0.646 USER MOD Set 2.1: A 26 MET CE :methyl -159:sc= -0.375 (180deg=-1.38) USER MOD Set 2.2: A 46 TYR OH : rot -159:sc= 0.789 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.018) USER MOD Single : A 24 CYS SG : rot -160:sc= -0.566 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.4) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 61:sc= 0.0956 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 271 N CYS A 19 28.218 32.832 28.354 1.00 0.00 N ATOM 272 CA CYS A 19 29.046 33.944 28.805 1.00 0.00 C ATOM 273 C CYS A 19 29.932 33.524 29.973 1.00 0.00 C ATOM 274 O CYS A 19 29.539 32.699 30.797 1.00 0.00 O ATOM 275 CB CYS A 19 28.168 35.128 29.215 1.00 0.00 C ATOM 276 SG CYS A 19 27.860 36.314 27.885 1.00 0.00 S ATOM 0 HA CYS A 19 29.687 34.246 27.977 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.213 34.749 29.578 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.642 35.647 30.048 1.00 0.00 H new ATOM 0 HG CYS A 19 27.107 37.277 28.328 1.00 0.00 H new ATOM 282 N GLN A 20 31.130 34.097 30.036 1.00 0.00 N ATOM 283 CA GLN A 20 32.073 33.779 31.103 1.00 0.00 C ATOM 284 C GLN A 20 32.836 35.024 31.543 1.00 0.00 C ATOM 285 O GLN A 20 33.024 35.957 30.764 1.00 0.00 O ATOM 286 CB GLN A 20 33.055 32.702 30.639 1.00 0.00 C ATOM 287 CG GLN A 20 34.104 33.213 29.665 1.00 0.00 C ATOM 288 CD GLN A 20 34.383 32.235 28.541 1.00 0.00 C ATOM 289 OE1 GLN A 20 35.523 31.817 28.335 1.00 0.00 O ATOM 290 NE2 GLN A 20 33.341 31.863 27.807 1.00 0.00 N ATOM 0 H GLN A 20 31.470 34.783 29.362 1.00 0.00 H new ATOM 0 HA GLN A 20 31.507 33.402 31.955 1.00 0.00 H new ATOM 0 HB2 GLN A 20 33.556 32.279 31.510 1.00 0.00 H new ATOM 0 HB3 GLN A 20 32.497 31.893 30.168 1.00 0.00 H new ATOM 0 HG2 GLN A 20 33.771 34.161 29.242 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.029 33.413 30.205 1.00 0.00 H new ATOM 0 HE21 GLN A 20 32.414 32.234 28.013 1.00 0.00 H new ATOM 0 HE22 GLN A 20 33.468 31.206 27.037 1.00 0.00 H new ATOM 299 N GLY A 21 33.272 35.031 32.799 1.00 0.00 N ATOM 300 CA GLY A 21 34.009 36.166 33.322 1.00 0.00 C ATOM 301 C GLY A 21 34.887 35.795 34.501 1.00 0.00 C ATOM 302 O GLY A 21 35.268 34.635 34.660 1.00 0.00 O ATOM 0 H GLY A 21 33.128 34.271 33.464 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.628 36.589 32.531 1.00 0.00 H new ATOM 0 HA3 GLY A 21 33.307 36.942 33.626 1.00 0.00 H new ATOM 306 N VAL A 22 35.210 36.782 35.330 1.00 0.00 N ATOM 307 CA VAL A 22 36.049 36.554 36.501 1.00 0.00 C ATOM 308 C VAL A 22 35.279 36.822 37.789 1.00 0.00 C ATOM 309 O VAL A 22 34.703 37.895 37.969 1.00 0.00 O ATOM 310 CB VAL A 22 37.306 37.443 36.472 1.00 0.00 C ATOM 311 CG1 VAL A 22 38.271 37.039 37.577 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.980 37.368 35.111 1.00 0.00 C ATOM 0 H VAL A 22 34.903 37.748 35.213 1.00 0.00 H new ATOM 0 HA VAL A 22 36.353 35.508 36.474 1.00 0.00 H new ATOM 0 HB VAL A 22 37.004 38.476 36.646 1.00 0.00 H new ATOM 0 HG11 VAL A 22 39.153 37.678 37.541 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.782 37.149 38.545 1.00 0.00 H new ATOM 0 HG13 VAL A 22 38.570 36.000 37.437 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.866 38.002 35.109 1.00 0.00 H new ATOM 0 HG22 VAL A 22 38.270 36.338 34.905 1.00 0.00 H new ATOM 0 HG23 VAL A 22 37.287 37.710 34.342 1.00 0.00 H new ATOM 322 N VAL A 23 35.274 35.839 38.684 1.00 0.00 N ATOM 323 CA VAL A 23 34.576 35.969 39.958 1.00 0.00 C ATOM 324 C VAL A 23 35.100 37.160 40.753 1.00 0.00 C ATOM 325 O VAL A 23 36.189 37.106 41.326 1.00 0.00 O ATOM 326 CB VAL A 23 34.721 34.694 40.810 1.00 0.00 C ATOM 327 CG1 VAL A 23 34.020 34.864 42.149 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.173 33.489 40.061 1.00 0.00 C ATOM 0 H VAL A 23 35.745 34.944 38.551 1.00 0.00 H new ATOM 0 HA VAL A 23 33.522 36.125 39.727 1.00 0.00 H new ATOM 0 HB VAL A 23 35.780 34.524 41.001 1.00 0.00 H new ATOM 0 HG11 VAL A 23 34.133 33.953 42.737 1.00 0.00 H new ATOM 0 HG12 VAL A 23 34.463 35.701 42.688 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.961 35.059 41.983 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.283 32.597 40.677 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.118 33.648 39.838 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.725 33.358 39.130 1.00 0.00 H new ATOM 338 N CYS A 24 34.319 38.234 40.784 1.00 0.00 N ATOM 339 CA CYS A 24 34.704 39.439 41.508 1.00 0.00 C ATOM 340 C CYS A 24 33.950 39.544 42.830 1.00 0.00 C ATOM 341 O CYS A 24 34.425 40.165 43.780 1.00 0.00 O ATOM 342 CB CYS A 24 34.436 40.680 40.655 1.00 0.00 C ATOM 343 SG CYS A 24 35.921 41.409 39.926 1.00 0.00 S ATOM 0 H CYS A 24 33.415 38.294 40.316 1.00 0.00 H new ATOM 0 HA CYS A 24 35.771 39.378 41.723 1.00 0.00 H new ATOM 0 HB2 CYS A 24 33.744 40.416 39.855 1.00 0.00 H new ATOM 0 HB3 CYS A 24 33.940 41.431 41.270 1.00 0.00 H new ATOM 0 HG CYS A 24 35.680 42.642 39.591 1.00 0.00 H new ATOM 349 N ALA A 25 32.770 38.933 42.882 1.00 0.00 N ATOM 350 CA ALA A 25 31.950 38.957 44.087 1.00 0.00 C ATOM 351 C ALA A 25 31.901 37.582 44.744 1.00 0.00 C ATOM 352 O ALA A 25 31.706 36.569 44.073 1.00 0.00 O ATOM 353 CB ALA A 25 30.545 39.438 43.759 1.00 0.00 C ATOM 0 H ALA A 25 32.361 38.416 42.104 1.00 0.00 H new ATOM 0 HA ALA A 25 32.404 39.652 44.793 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.943 39.451 44.668 1.00 0.00 H new ATOM 0 HB2 ALA A 25 30.593 40.444 43.341 1.00 0.00 H new ATOM 0 HB3 ALA A 25 30.090 38.765 43.033 1.00 0.00 H new ATOM 359 N MET A 26 32.079 37.554 46.061 1.00 0.00 N ATOM 360 CA MET A 26 32.054 36.303 46.809 1.00 0.00 C ATOM 361 C MET A 26 31.315 36.475 48.133 1.00 0.00 C ATOM 362 O MET A 26 31.528 37.452 48.851 1.00 0.00 O ATOM 363 CB MET A 26 33.479 35.809 47.067 1.00 0.00 C ATOM 364 CG MET A 26 34.231 35.433 45.801 1.00 0.00 C ATOM 365 SD MET A 26 34.077 33.683 45.396 1.00 0.00 S ATOM 366 CE MET A 26 34.852 32.935 46.826 1.00 0.00 C ATOM 0 H MET A 26 32.242 38.383 46.632 1.00 0.00 H new ATOM 0 HA MET A 26 31.523 35.562 46.211 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.034 36.586 47.592 1.00 0.00 H new ATOM 0 HB3 MET A 26 33.440 34.943 47.728 1.00 0.00 H new ATOM 0 HG2 MET A 26 33.855 36.029 44.969 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.285 35.683 45.921 1.00 0.00 H new ATOM 0 HE1 MET A 26 35.172 31.923 46.579 1.00 0.00 H new ATOM 0 HE2 MET A 26 35.718 33.527 47.122 1.00 0.00 H new ATOM 0 HE3 MET A 26 34.139 32.899 47.649 1.00 0.00 H new ATOM 376 N LYS A 27 30.447 35.521 48.449 1.00 0.00 N ATOM 377 CA LYS A 27 29.677 35.565 49.686 1.00 0.00 C ATOM 378 C LYS A 27 29.422 34.159 50.220 1.00 0.00 C ATOM 379 O LYS A 27 29.768 33.170 49.576 1.00 0.00 O ATOM 380 CB LYS A 27 28.345 36.285 49.457 1.00 0.00 C ATOM 381 CG LYS A 27 28.035 37.338 50.506 1.00 0.00 C ATOM 382 CD LYS A 27 27.745 38.688 49.871 1.00 0.00 C ATOM 383 CE LYS A 27 27.165 39.666 50.882 1.00 0.00 C ATOM 384 NZ LYS A 27 26.284 40.677 50.233 1.00 0.00 N ATOM 0 H LYS A 27 30.259 34.706 47.865 1.00 0.00 H new ATOM 0 HA LYS A 27 30.258 36.115 50.426 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.361 36.757 48.474 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.541 35.549 49.444 1.00 0.00 H new ATOM 0 HG2 LYS A 27 27.177 37.021 51.098 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.878 37.430 51.191 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.663 39.099 49.451 1.00 0.00 H new ATOM 0 HD3 LYS A 27 27.046 38.560 49.044 1.00 0.00 H new ATOM 0 HE2 LYS A 27 26.597 39.118 51.633 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.977 40.173 51.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 25.909 41.325 50.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.832 41.218 49.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 25.495 40.195 49.756 1.00 0.00 H new ATOM 398 N GLU A 28 28.813 34.080 51.399 1.00 0.00 N ATOM 399 CA GLU A 28 28.512 32.794 52.017 1.00 0.00 C ATOM 400 C GLU A 28 27.098 32.340 51.666 1.00 0.00 C ATOM 401 O GLU A 28 26.340 31.907 52.534 1.00 0.00 O ATOM 402 CB GLU A 28 28.667 32.885 53.537 1.00 0.00 C ATOM 403 CG GLU A 28 30.104 33.083 53.990 1.00 0.00 C ATOM 404 CD GLU A 28 30.269 32.926 55.490 1.00 0.00 C ATOM 405 OE1 GLU A 28 29.523 32.123 56.088 1.00 0.00 O ATOM 406 OE2 GLU A 28 31.145 33.606 56.064 1.00 0.00 O ATOM 0 H GLU A 28 28.519 34.890 51.945 1.00 0.00 H new ATOM 0 HA GLU A 28 29.218 32.059 51.630 1.00 0.00 H new ATOM 0 HB2 GLU A 28 28.061 33.712 53.907 1.00 0.00 H new ATOM 0 HB3 GLU A 28 28.274 31.974 53.989 1.00 0.00 H new ATOM 0 HG2 GLU A 28 30.744 32.363 53.480 1.00 0.00 H new ATOM 0 HG3 GLU A 28 30.441 34.076 53.693 1.00 0.00 H new ATOM 413 N ALA A 29 26.750 32.442 50.388 1.00 0.00 N ATOM 414 CA ALA A 29 25.429 32.041 49.921 1.00 0.00 C ATOM 415 C ALA A 29 25.306 32.210 48.410 1.00 0.00 C ATOM 416 O ALA A 29 24.934 31.276 47.699 1.00 0.00 O ATOM 417 CB ALA A 29 24.351 32.845 50.633 1.00 0.00 C ATOM 0 H ALA A 29 27.365 32.799 49.657 1.00 0.00 H new ATOM 0 HA ALA A 29 25.293 30.985 50.155 1.00 0.00 H new ATOM 0 HB1 ALA A 29 23.369 32.535 50.274 1.00 0.00 H new ATOM 0 HB2 ALA A 29 24.417 32.671 51.707 1.00 0.00 H new ATOM 0 HB3 ALA A 29 24.494 33.906 50.428 1.00 0.00 H new ATOM 423 N PHE A 30 25.619 33.407 47.926 1.00 0.00 N ATOM 424 CA PHE A 30 25.542 33.698 46.499 1.00 0.00 C ATOM 425 C PHE A 30 26.486 34.837 46.124 1.00 0.00 C ATOM 426 O PHE A 30 27.017 35.529 46.992 1.00 0.00 O ATOM 427 CB PHE A 30 24.108 34.060 46.108 1.00 0.00 C ATOM 428 CG PHE A 30 23.468 35.057 47.031 1.00 0.00 C ATOM 429 CD1 PHE A 30 23.954 36.351 47.119 1.00 0.00 C ATOM 430 CD2 PHE A 30 22.380 34.700 47.811 1.00 0.00 C ATOM 431 CE1 PHE A 30 23.368 37.270 47.969 1.00 0.00 C ATOM 432 CE2 PHE A 30 21.789 35.614 48.663 1.00 0.00 C ATOM 433 CZ PHE A 30 22.283 36.902 48.741 1.00 0.00 C ATOM 0 H PHE A 30 25.928 34.191 48.500 1.00 0.00 H new ATOM 0 HA PHE A 30 25.846 32.804 45.954 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.107 34.462 45.095 1.00 0.00 H new ATOM 0 HB3 PHE A 30 23.504 33.153 46.092 1.00 0.00 H new ATOM 0 HD1 PHE A 30 24.801 36.645 46.516 1.00 0.00 H new ATOM 0 HD2 PHE A 30 21.989 33.695 47.753 1.00 0.00 H new ATOM 0 HE1 PHE A 30 23.758 38.275 48.030 1.00 0.00 H new ATOM 0 HE2 PHE A 30 20.942 35.322 49.267 1.00 0.00 H new ATOM 0 HZ PHE A 30 21.822 37.619 49.404 1.00 0.00 H new ATOM 443 N GLY A 31 26.692 35.024 44.824 1.00 0.00 N ATOM 444 CA GLY A 31 27.572 36.078 44.356 1.00 0.00 C ATOM 445 C GLY A 31 27.365 36.398 42.889 1.00 0.00 C ATOM 446 O GLY A 31 26.406 35.932 42.274 1.00 0.00 O ATOM 0 H GLY A 31 26.265 34.464 44.086 1.00 0.00 H new ATOM 0 HA2 GLY A 31 27.403 36.977 44.948 1.00 0.00 H new ATOM 0 HA3 GLY A 31 28.608 35.780 44.517 1.00 0.00 H new ATOM 450 N PHE A 32 28.266 37.197 42.327 1.00 0.00 N ATOM 451 CA PHE A 32 28.177 37.582 40.923 1.00 0.00 C ATOM 452 C PHE A 32 29.523 37.412 40.226 1.00 0.00 C ATOM 453 O PHE A 32 30.541 37.161 40.871 1.00 0.00 O ATOM 454 CB PHE A 32 27.705 39.032 40.798 1.00 0.00 C ATOM 455 CG PHE A 32 26.524 39.355 41.668 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.703 39.738 42.987 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.234 39.274 41.167 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.618 40.037 43.791 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.146 39.572 41.965 1.00 0.00 C ATOM 460 CZ PHE A 32 24.338 39.952 43.279 1.00 0.00 C ATOM 0 H PHE A 32 29.066 37.591 42.822 1.00 0.00 H new ATOM 0 HA PHE A 32 27.452 36.928 40.439 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.529 39.697 41.056 1.00 0.00 H new ATOM 0 HB3 PHE A 32 27.446 39.233 39.758 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.702 39.804 43.393 1.00 0.00 H new ATOM 0 HD2 PHE A 32 25.078 38.975 40.141 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.771 40.336 44.817 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.146 39.508 41.562 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.489 40.182 43.905 1.00 0.00 H new ATOM 470 N ILE A 33 29.520 37.549 38.904 1.00 0.00 N ATOM 471 CA ILE A 33 30.740 37.411 38.119 1.00 0.00 C ATOM 472 C ILE A 33 31.033 38.683 37.330 1.00 0.00 C ATOM 473 O ILE A 33 30.118 39.348 36.845 1.00 0.00 O ATOM 474 CB ILE A 33 30.650 36.223 37.142 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.395 34.924 37.908 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.925 36.118 36.318 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.833 33.815 37.046 1.00 0.00 C ATOM 0 H ILE A 33 28.686 37.755 38.354 1.00 0.00 H new ATOM 0 HA ILE A 33 31.550 37.229 38.825 1.00 0.00 H new ATOM 0 HB ILE A 33 29.815 36.392 36.462 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.329 34.587 38.356 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.703 35.124 38.726 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.847 35.274 35.632 1.00 0.00 H new ATOM 0 HG22 ILE A 33 32.067 37.036 35.748 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.776 35.968 36.982 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.677 32.924 37.655 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.882 34.133 36.618 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.534 33.587 36.243 1.00 0.00 H new ATOM 489 N GLU A 34 32.314 39.013 37.203 1.00 0.00 N ATOM 490 CA GLU A 34 32.727 40.204 36.471 1.00 0.00 C ATOM 491 C GLU A 34 32.688 39.959 34.966 1.00 0.00 C ATOM 492 O GLU A 34 33.373 39.073 34.453 1.00 0.00 O ATOM 493 CB GLU A 34 34.135 40.627 36.894 1.00 0.00 C ATOM 494 CG GLU A 34 34.377 42.124 36.793 1.00 0.00 C ATOM 495 CD GLU A 34 35.614 42.461 35.983 1.00 0.00 C ATOM 496 OE1 GLU A 34 35.589 42.261 34.751 1.00 0.00 O ATOM 497 OE2 GLU A 34 36.608 42.924 36.582 1.00 0.00 O ATOM 0 H GLU A 34 33.084 38.472 37.598 1.00 0.00 H new ATOM 0 HA GLU A 34 32.028 41.006 36.709 1.00 0.00 H new ATOM 0 HB2 GLU A 34 34.308 40.308 37.922 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.864 40.107 36.272 1.00 0.00 H new ATOM 0 HG2 GLU A 34 33.508 42.599 36.337 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.479 42.540 37.795 1.00 0.00 H new ATOM 601 N GLU A 41 26.245 41.456 33.858 1.00 0.00 N ATOM 602 CA GLU A 41 26.518 40.543 34.961 1.00 0.00 C ATOM 603 C GLU A 41 25.346 39.590 35.180 1.00 0.00 C ATOM 604 O GLU A 41 24.273 39.766 34.602 1.00 0.00 O ATOM 605 CB GLU A 41 26.799 41.327 36.245 1.00 0.00 C ATOM 606 CG GLU A 41 25.618 42.155 36.723 1.00 0.00 C ATOM 607 CD GLU A 41 25.745 43.620 36.353 1.00 0.00 C ATOM 608 OE1 GLU A 41 25.996 43.912 35.165 1.00 0.00 O ATOM 609 OE2 GLU A 41 25.593 44.474 37.251 1.00 0.00 O ATOM 0 HA GLU A 41 27.399 39.956 34.703 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.085 40.629 37.032 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.651 41.986 36.079 1.00 0.00 H new ATOM 0 HG2 GLU A 41 24.700 41.754 36.293 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.530 42.064 37.806 1.00 0.00 H new ATOM 616 N ILE A 42 25.560 38.581 36.018 1.00 0.00 N ATOM 617 CA ILE A 42 24.523 37.601 36.314 1.00 0.00 C ATOM 618 C ILE A 42 24.572 37.173 37.777 1.00 0.00 C ATOM 619 O ILE A 42 25.543 37.447 38.483 1.00 0.00 O ATOM 620 CB ILE A 42 24.656 36.353 35.422 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.735 35.419 35.972 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.977 36.758 33.991 1.00 0.00 C ATOM 623 CD1 ILE A 42 27.093 36.073 36.100 1.00 0.00 C ATOM 0 H ILE A 42 26.442 38.421 36.504 1.00 0.00 H new ATOM 0 HA ILE A 42 23.567 38.083 36.110 1.00 0.00 H new ATOM 0 HB ILE A 42 23.706 35.819 35.424 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.423 35.053 36.950 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.819 34.550 35.319 1.00 0.00 H new ATOM 0 HG21 ILE A 42 25.068 35.865 33.372 1.00 0.00 H new ATOM 0 HG22 ILE A 42 24.177 37.388 33.603 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.916 37.311 33.971 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.808 35.352 36.496 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.426 36.414 35.120 1.00 0.00 H new ATOM 0 HD13 ILE A 42 27.024 36.925 36.777 1.00 0.00 H new ATOM 635 N PHE A 43 23.519 36.499 38.226 1.00 0.00 N ATOM 636 CA PHE A 43 23.442 36.031 39.606 1.00 0.00 C ATOM 637 C PHE A 43 23.512 34.508 39.669 1.00 0.00 C ATOM 638 O PHE A 43 22.672 33.813 39.098 1.00 0.00 O ATOM 639 CB PHE A 43 22.149 36.521 40.261 1.00 0.00 C ATOM 640 CG PHE A 43 21.884 35.899 41.602 1.00 0.00 C ATOM 641 CD1 PHE A 43 22.443 36.435 42.751 1.00 0.00 C ATOM 642 CD2 PHE A 43 21.076 34.779 41.714 1.00 0.00 C ATOM 643 CE1 PHE A 43 22.200 35.865 43.987 1.00 0.00 C ATOM 644 CE2 PHE A 43 20.830 34.206 42.947 1.00 0.00 C ATOM 645 CZ PHE A 43 21.394 34.749 44.085 1.00 0.00 C ATOM 0 H PHE A 43 22.707 36.264 37.655 1.00 0.00 H new ATOM 0 HA PHE A 43 24.294 36.439 40.150 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.196 37.604 40.375 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.311 36.306 39.598 1.00 0.00 H new ATOM 0 HD1 PHE A 43 23.075 37.308 42.680 1.00 0.00 H new ATOM 0 HD2 PHE A 43 20.634 34.349 40.828 1.00 0.00 H new ATOM 0 HE1 PHE A 43 22.641 36.293 44.875 1.00 0.00 H new ATOM 0 HE2 PHE A 43 20.197 33.334 43.021 1.00 0.00 H new ATOM 0 HZ PHE A 43 21.205 34.301 45.049 1.00 0.00 H new ATOM 655 N PHE A 44 24.521 33.997 40.367 1.00 0.00 N ATOM 656 CA PHE A 44 24.703 32.557 40.504 1.00 0.00 C ATOM 657 C PHE A 44 24.732 32.150 41.974 1.00 0.00 C ATOM 658 O PHE A 44 25.101 32.942 42.842 1.00 0.00 O ATOM 659 CB PHE A 44 25.997 32.117 39.816 1.00 0.00 C ATOM 660 CG PHE A 44 27.237 32.479 40.583 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.775 33.753 40.494 1.00 0.00 C ATOM 662 CD2 PHE A 44 27.863 31.546 41.394 1.00 0.00 C ATOM 663 CE1 PHE A 44 28.916 34.088 41.199 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.004 31.876 42.101 1.00 0.00 C ATOM 665 CZ PHE A 44 29.531 33.149 42.004 1.00 0.00 C ATOM 0 H PHE A 44 25.225 34.559 40.846 1.00 0.00 H new ATOM 0 HA PHE A 44 23.858 32.062 40.025 1.00 0.00 H new ATOM 0 HB2 PHE A 44 25.972 31.037 39.670 1.00 0.00 H new ATOM 0 HB3 PHE A 44 26.046 32.572 38.827 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.298 34.492 39.867 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.455 30.549 41.475 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.327 35.084 41.120 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.483 31.139 42.729 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.422 33.410 42.556 1.00 0.00 H new ATOM 675 N HIS A 45 24.339 30.910 42.247 1.00 0.00 N ATOM 676 CA HIS A 45 24.319 30.396 43.612 1.00 0.00 C ATOM 677 C HIS A 45 25.408 29.346 43.813 1.00 0.00 C ATOM 678 O HIS A 45 25.611 28.478 42.964 1.00 0.00 O ATOM 679 CB HIS A 45 22.950 29.797 43.934 1.00 0.00 C ATOM 680 CG HIS A 45 22.461 30.128 45.310 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.718 29.337 46.411 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.727 31.172 45.762 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.162 29.880 47.479 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.555 30.994 47.113 1.00 0.00 N ATOM 0 H HIS A 45 24.030 30.242 41.541 1.00 0.00 H new ATOM 0 HA HIS A 45 24.511 31.227 44.290 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.225 30.155 43.203 1.00 0.00 H new ATOM 0 HB3 HIS A 45 23.002 28.714 43.827 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.347 31.992 45.170 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.198 29.480 48.482 1.00 0.00 H new ATOM 0 HE2 HIS A 45 21.042 31.621 47.733 1.00 0.00 H new ATOM 692 N TYR A 46 26.104 29.431 44.941 1.00 0.00 N ATOM 693 CA TYR A 46 27.174 28.490 45.251 1.00 0.00 C ATOM 694 C TYR A 46 26.657 27.055 45.238 1.00 0.00 C ATOM 695 O TYR A 46 27.369 26.131 44.843 1.00 0.00 O ATOM 696 CB TYR A 46 27.783 28.812 46.617 1.00 0.00 C ATOM 697 CG TYR A 46 28.701 30.013 46.603 1.00 0.00 C ATOM 698 CD1 TYR A 46 28.197 31.299 46.759 1.00 0.00 C ATOM 699 CD2 TYR A 46 30.072 29.864 46.432 1.00 0.00 C ATOM 700 CE1 TYR A 46 29.031 32.400 46.746 1.00 0.00 C ATOM 701 CE2 TYR A 46 30.914 30.959 46.420 1.00 0.00 C ATOM 702 CZ TYR A 46 30.389 32.224 46.577 1.00 0.00 C ATOM 703 OH TYR A 46 31.224 33.318 46.563 1.00 0.00 O ATOM 0 H TYR A 46 25.947 30.141 45.656 1.00 0.00 H new ATOM 0 HA TYR A 46 27.943 28.587 44.485 1.00 0.00 H new ATOM 0 HB2 TYR A 46 26.979 28.988 47.331 1.00 0.00 H new ATOM 0 HB3 TYR A 46 28.339 27.944 46.971 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.135 31.440 46.893 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.487 28.875 46.306 1.00 0.00 H new ATOM 0 HE1 TYR A 46 28.623 33.392 46.867 1.00 0.00 H new ATOM 0 HE2 TYR A 46 31.978 30.825 46.288 1.00 0.00 H new ATOM 0 HH TYR A 46 32.061 33.085 46.109 1.00 0.00 H new ATOM 713 N SER A 47 25.414 26.876 45.671 1.00 0.00 N ATOM 714 CA SER A 47 24.801 25.553 45.713 1.00 0.00 C ATOM 715 C SER A 47 24.916 24.859 44.359 1.00 0.00 C ATOM 716 O SER A 47 24.987 23.633 44.283 1.00 0.00 O ATOM 717 CB SER A 47 23.331 25.661 46.120 1.00 0.00 C ATOM 718 OG SER A 47 22.639 24.452 45.861 1.00 0.00 O ATOM 0 H SER A 47 24.811 27.631 45.998 1.00 0.00 H new ATOM 0 HA SER A 47 25.332 24.957 46.455 1.00 0.00 H new ATOM 0 HB2 SER A 47 23.261 25.903 47.180 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.859 26.478 45.574 1.00 0.00 H new ATOM 0 HG SER A 47 21.702 24.547 46.132 1.00 0.00 H new ATOM 724 N GLU A 48 24.934 25.654 43.293 1.00 0.00 N ATOM 725 CA GLU A 48 25.039 25.116 41.942 1.00 0.00 C ATOM 726 C GLU A 48 26.496 25.057 41.492 1.00 0.00 C ATOM 727 O GLU A 48 26.864 24.239 40.648 1.00 0.00 O ATOM 728 CB GLU A 48 24.226 25.968 40.965 1.00 0.00 C ATOM 729 CG GLU A 48 22.882 25.360 40.600 1.00 0.00 C ATOM 730 CD GLU A 48 23.019 24.070 39.815 1.00 0.00 C ATOM 731 OE1 GLU A 48 23.290 23.023 40.439 1.00 0.00 O ATOM 732 OE2 GLU A 48 22.855 24.107 38.578 1.00 0.00 O ATOM 0 H GLU A 48 24.877 26.671 43.339 1.00 0.00 H new ATOM 0 HA GLU A 48 24.638 24.103 41.950 1.00 0.00 H new ATOM 0 HB2 GLU A 48 24.063 26.953 41.403 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.807 26.117 40.055 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.315 25.168 41.511 1.00 0.00 H new ATOM 0 HG3 GLU A 48 22.310 26.079 40.014 1.00 0.00 H new ATOM 739 N PHE A 49 27.321 25.930 42.061 1.00 0.00 N ATOM 740 CA PHE A 49 28.737 25.979 41.718 1.00 0.00 C ATOM 741 C PHE A 49 29.374 24.598 41.838 1.00 0.00 C ATOM 742 O PHE A 49 29.368 23.989 42.908 1.00 0.00 O ATOM 743 CB PHE A 49 29.469 26.971 42.624 1.00 0.00 C ATOM 744 CG PHE A 49 30.962 26.940 42.464 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.575 27.614 41.420 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.753 26.236 43.359 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.949 27.587 41.271 1.00 0.00 C ATOM 748 CE2 PHE A 49 33.127 26.207 43.215 1.00 0.00 C ATOM 749 CZ PHE A 49 33.726 26.882 42.169 1.00 0.00 C ATOM 0 H PHE A 49 27.033 26.613 42.762 1.00 0.00 H new ATOM 0 HA PHE A 49 28.823 26.311 40.683 1.00 0.00 H new ATOM 0 HB2 PHE A 49 29.110 27.978 42.412 1.00 0.00 H new ATOM 0 HB3 PHE A 49 29.218 26.755 43.663 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.972 28.167 40.715 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.290 25.705 44.177 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.414 28.117 40.453 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.732 25.657 43.920 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.800 26.858 42.054 1.00 0.00 H new ATOM 759 N LYS A 50 29.924 24.108 40.732 1.00 0.00 N ATOM 760 CA LYS A 50 30.567 22.799 40.711 1.00 0.00 C ATOM 761 C LYS A 50 32.083 22.939 40.616 1.00 0.00 C ATOM 762 O LYS A 50 32.665 22.783 39.543 1.00 0.00 O ATOM 763 CB LYS A 50 30.046 21.972 39.534 1.00 0.00 C ATOM 764 CG LYS A 50 28.532 21.979 39.408 1.00 0.00 C ATOM 765 CD LYS A 50 27.864 21.491 40.682 1.00 0.00 C ATOM 766 CE LYS A 50 28.243 20.051 40.993 1.00 0.00 C ATOM 767 NZ LYS A 50 27.100 19.289 41.570 1.00 0.00 N ATOM 0 H LYS A 50 29.937 24.598 39.838 1.00 0.00 H new ATOM 0 HA LYS A 50 30.325 22.288 41.643 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.481 22.355 38.611 1.00 0.00 H new ATOM 0 HB3 LYS A 50 30.388 20.943 39.644 1.00 0.00 H new ATOM 0 HG2 LYS A 50 28.190 22.989 39.180 1.00 0.00 H new ATOM 0 HG3 LYS A 50 28.233 21.345 38.573 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.153 22.132 41.514 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.782 21.570 40.580 1.00 0.00 H new ATOM 0 HE2 LYS A 50 28.584 19.560 40.081 1.00 0.00 H new ATOM 0 HE3 LYS A 50 29.078 20.038 41.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.398 18.313 41.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.791 19.743 42.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.312 19.279 40.892 1.00 0.00 H new ATOM 781 N GLY A 51 32.717 23.233 41.747 1.00 0.00 N ATOM 782 CA GLY A 51 34.160 23.387 41.770 1.00 0.00 C ATOM 783 C GLY A 51 34.739 23.226 43.161 1.00 0.00 C ATOM 784 O GLY A 51 34.394 22.287 43.879 1.00 0.00 O ATOM 0 H GLY A 51 32.257 23.367 42.648 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.611 22.651 41.105 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.423 24.371 41.382 1.00 0.00 H new ATOM 788 N ASP A 52 35.622 24.141 43.543 1.00 0.00 N ATOM 789 CA ASP A 52 36.251 24.096 44.858 1.00 0.00 C ATOM 790 C ASP A 52 35.679 25.176 45.771 1.00 0.00 C ATOM 791 O ASP A 52 36.174 26.304 45.801 1.00 0.00 O ATOM 792 CB ASP A 52 37.765 24.269 44.729 1.00 0.00 C ATOM 793 CG ASP A 52 38.389 23.239 43.807 1.00 0.00 C ATOM 794 OD1 ASP A 52 38.202 22.029 44.055 1.00 0.00 O ATOM 795 OD2 ASP A 52 39.063 23.643 42.837 1.00 0.00 O ATOM 0 H ASP A 52 35.919 24.924 42.960 1.00 0.00 H new ATOM 0 HA ASP A 52 36.041 23.122 45.301 1.00 0.00 H new ATOM 0 HB2 ASP A 52 37.983 25.269 44.353 1.00 0.00 H new ATOM 0 HB3 ASP A 52 38.222 24.193 45.716 1.00 0.00 H new ATOM 800 N LEU A 53 34.635 24.825 46.513 1.00 0.00 N ATOM 801 CA LEU A 53 33.995 25.764 47.427 1.00 0.00 C ATOM 802 C LEU A 53 34.944 26.161 48.553 1.00 0.00 C ATOM 803 O LEU A 53 34.795 27.223 49.157 1.00 0.00 O ATOM 804 CB LEU A 53 32.721 25.151 48.011 1.00 0.00 C ATOM 805 CG LEU A 53 31.502 26.072 48.077 1.00 0.00 C ATOM 806 CD1 LEU A 53 31.855 27.375 48.777 1.00 0.00 C ATOM 807 CD2 LEU A 53 30.962 26.343 46.681 1.00 0.00 C ATOM 0 H LEU A 53 34.213 23.896 46.500 1.00 0.00 H new ATOM 0 HA LEU A 53 33.734 26.660 46.864 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.458 24.275 47.418 1.00 0.00 H new ATOM 0 HB3 LEU A 53 32.940 24.799 49.019 1.00 0.00 H new ATOM 0 HG LEU A 53 30.724 25.573 48.655 1.00 0.00 H new ATOM 0 HD11 LEU A 53 30.975 28.018 48.815 1.00 0.00 H new ATOM 0 HD12 LEU A 53 32.193 27.163 49.791 1.00 0.00 H new ATOM 0 HD13 LEU A 53 32.650 27.880 48.228 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.095 27.000 46.748 1.00 0.00 H new ATOM 0 HD22 LEU A 53 31.734 26.821 46.079 1.00 0.00 H new ATOM 0 HD23 LEU A 53 30.669 25.402 46.215 1.00 0.00 H new ATOM 819 N GLU A 54 35.920 25.302 48.828 1.00 0.00 N ATOM 820 CA GLU A 54 36.894 25.565 49.881 1.00 0.00 C ATOM 821 C GLU A 54 38.043 26.423 49.358 1.00 0.00 C ATOM 822 O GLU A 54 38.593 27.253 50.082 1.00 0.00 O ATOM 823 CB GLU A 54 37.440 24.249 50.441 1.00 0.00 C ATOM 824 CG GLU A 54 38.260 23.454 49.438 1.00 0.00 C ATOM 825 CD GLU A 54 38.431 22.003 49.845 1.00 0.00 C ATOM 826 OE1 GLU A 54 38.464 21.728 51.062 1.00 0.00 O ATOM 827 OE2 GLU A 54 38.531 21.144 48.944 1.00 0.00 O ATOM 0 H GLU A 54 36.057 24.419 48.337 1.00 0.00 H new ATOM 0 HA GLU A 54 36.390 26.111 50.679 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.057 24.463 51.313 1.00 0.00 H new ATOM 0 HB3 GLU A 54 36.606 23.636 50.783 1.00 0.00 H new ATOM 0 HG2 GLU A 54 37.777 23.499 48.462 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.242 23.915 49.330 1.00 0.00 H new ATOM 834 N THR A 55 38.401 26.216 48.094 1.00 0.00 N ATOM 835 CA THR A 55 39.484 26.968 47.474 1.00 0.00 C ATOM 836 C THR A 55 39.013 27.660 46.200 1.00 0.00 C ATOM 837 O THR A 55 39.107 27.101 45.106 1.00 0.00 O ATOM 838 CB THR A 55 40.680 26.057 47.138 1.00 0.00 C ATOM 839 OG1 THR A 55 40.282 25.054 46.196 1.00 0.00 O ATOM 840 CG2 THR A 55 41.224 25.393 48.394 1.00 0.00 C ATOM 0 H THR A 55 37.956 25.534 47.480 1.00 0.00 H new ATOM 0 HA THR A 55 39.801 27.720 48.197 1.00 0.00 H new ATOM 0 HB THR A 55 41.467 26.673 46.702 1.00 0.00 H new ATOM 0 HG1 THR A 55 39.970 25.484 45.372 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.068 24.755 48.132 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.553 26.158 49.097 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.442 24.789 48.854 1.00 0.00 H new ATOM 848 N LEU A 56 38.508 28.880 46.347 1.00 0.00 N ATOM 849 CA LEU A 56 38.023 29.649 45.206 1.00 0.00 C ATOM 850 C LEU A 56 38.372 31.126 45.359 1.00 0.00 C ATOM 851 O LEU A 56 37.505 31.951 45.649 1.00 0.00 O ATOM 852 CB LEU A 56 36.509 29.483 45.061 1.00 0.00 C ATOM 853 CG LEU A 56 35.862 30.227 43.892 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.452 29.760 42.570 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.353 30.029 43.903 1.00 0.00 C ATOM 0 H LEU A 56 38.424 29.358 47.244 1.00 0.00 H new ATOM 0 HA LEU A 56 38.511 29.270 44.308 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.288 28.421 44.957 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.037 29.817 45.985 1.00 0.00 H new ATOM 0 HG LEU A 56 36.070 31.291 44.004 1.00 0.00 H new ATOM 0 HD11 LEU A 56 35.980 30.300 41.750 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.525 29.953 42.562 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.275 28.691 42.450 1.00 0.00 H new ATOM 0 HD21 LEU A 56 33.910 30.566 43.064 1.00 0.00 H new ATOM 0 HD22 LEU A 56 34.125 28.967 43.816 1.00 0.00 H new ATOM 0 HD23 LEU A 56 33.942 30.413 44.837 1.00 0.00 H new ATOM 867 N GLN A 57 39.645 31.452 45.159 1.00 0.00 N ATOM 868 CA GLN A 57 40.107 32.831 45.273 1.00 0.00 C ATOM 869 C GLN A 57 41.372 33.050 44.451 1.00 0.00 C ATOM 870 O GLN A 57 42.077 32.108 44.087 1.00 0.00 O ATOM 871 CB GLN A 57 40.368 33.184 46.738 1.00 0.00 C ATOM 872 CG GLN A 57 39.276 34.037 47.362 1.00 0.00 C ATOM 873 CD GLN A 57 38.953 33.623 48.784 1.00 0.00 C ATOM 874 OE1 GLN A 57 39.524 34.147 49.741 1.00 0.00 O ATOM 875 NE2 GLN A 57 38.033 32.677 48.931 1.00 0.00 N ATOM 0 H GLN A 57 40.374 30.781 44.917 1.00 0.00 H new ATOM 0 HA GLN A 57 39.325 33.483 44.884 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.471 32.263 47.312 1.00 0.00 H new ATOM 0 HB3 GLN A 57 41.318 33.713 46.812 1.00 0.00 H new ATOM 0 HG2 GLN A 57 39.587 35.082 47.354 1.00 0.00 H new ATOM 0 HG3 GLN A 57 38.374 33.968 46.754 1.00 0.00 H new ATOM 0 HE21 GLN A 57 37.585 32.270 48.110 1.00 0.00 H new ATOM 0 HE22 GLN A 57 37.775 32.358 49.865 1.00 0.00 H new ATOM 884 N PRO A 58 41.670 34.323 44.149 1.00 0.00 N ATOM 885 CA PRO A 58 40.838 35.452 44.576 1.00 0.00 C ATOM 886 C PRO A 58 39.497 35.491 43.851 1.00 0.00 C ATOM 887 O PRO A 58 38.585 36.213 44.251 1.00 0.00 O ATOM 888 CB PRO A 58 41.682 36.674 44.204 1.00 0.00 C ATOM 889 CG PRO A 58 42.555 36.207 43.091 1.00 0.00 C ATOM 890 CD PRO A 58 42.840 34.757 43.368 1.00 0.00 C ATOM 0 HA PRO A 58 40.587 35.396 45.635 1.00 0.00 H new ATOM 0 HB2 PRO A 58 41.054 37.508 43.891 1.00 0.00 H new ATOM 0 HB3 PRO A 58 42.273 37.020 45.052 1.00 0.00 H new ATOM 0 HG2 PRO A 58 42.059 36.330 42.128 1.00 0.00 H new ATOM 0 HG3 PRO A 58 43.478 36.785 43.050 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.943 34.184 42.446 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.767 34.629 43.928 1.00 0.00 H new ATOM 898 N GLY A 59 39.384 34.708 42.782 1.00 0.00 N ATOM 899 CA GLY A 59 38.150 34.668 42.020 1.00 0.00 C ATOM 900 C GLY A 59 38.216 33.693 40.861 1.00 0.00 C ATOM 901 O GLY A 59 37.324 32.863 40.687 1.00 0.00 O ATOM 0 H GLY A 59 40.125 34.101 42.431 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.328 34.389 42.679 1.00 0.00 H new ATOM 0 HA3 GLY A 59 37.929 35.665 41.640 1.00 0.00 H new ATOM 905 N ASP A 60 39.275 33.795 40.064 1.00 0.00 N ATOM 906 CA ASP A 60 39.454 32.915 38.915 1.00 0.00 C ATOM 907 C ASP A 60 38.321 33.097 37.910 1.00 0.00 C ATOM 908 O ASP A 60 37.289 33.691 38.223 1.00 0.00 O ATOM 909 CB ASP A 60 39.521 31.456 39.368 1.00 0.00 C ATOM 910 CG ASP A 60 40.946 30.949 39.477 1.00 0.00 C ATOM 911 OD1 ASP A 60 41.747 31.580 40.199 1.00 0.00 O ATOM 912 OD2 ASP A 60 41.260 29.921 38.842 1.00 0.00 O ATOM 0 H ASP A 60 40.022 34.478 40.193 1.00 0.00 H new ATOM 0 HA ASP A 60 40.393 33.179 38.429 1.00 0.00 H new ATOM 0 HB2 ASP A 60 39.028 31.356 40.335 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.970 30.834 38.663 1.00 0.00 H new ATOM 917 N ASP A 61 38.520 32.582 36.702 1.00 0.00 N ATOM 918 CA ASP A 61 37.516 32.687 35.650 1.00 0.00 C ATOM 919 C ASP A 61 36.440 31.619 35.818 1.00 0.00 C ATOM 920 O ASP A 61 36.718 30.509 36.273 1.00 0.00 O ATOM 921 CB ASP A 61 38.171 32.558 34.274 1.00 0.00 C ATOM 922 CG ASP A 61 39.200 33.641 34.019 1.00 0.00 C ATOM 923 OD1 ASP A 61 40.185 33.716 34.783 1.00 0.00 O ATOM 924 OD2 ASP A 61 39.021 34.413 33.054 1.00 0.00 O ATOM 0 H ASP A 61 39.368 32.087 36.427 1.00 0.00 H new ATOM 0 HA ASP A 61 37.045 33.667 35.728 1.00 0.00 H new ATOM 0 HB2 ASP A 61 38.648 31.581 34.192 1.00 0.00 H new ATOM 0 HB3 ASP A 61 37.402 32.603 33.503 1.00 0.00 H new ATOM 929 N VAL A 62 35.210 31.962 35.448 1.00 0.00 N ATOM 930 CA VAL A 62 34.092 31.032 35.558 1.00 0.00 C ATOM 931 C VAL A 62 33.117 31.207 34.399 1.00 0.00 C ATOM 932 O VAL A 62 32.927 32.314 33.897 1.00 0.00 O ATOM 933 CB VAL A 62 33.333 31.220 36.885 1.00 0.00 C ATOM 934 CG1 VAL A 62 34.183 30.753 38.057 1.00 0.00 C ATOM 935 CG2 VAL A 62 32.921 32.674 37.062 1.00 0.00 C ATOM 0 H VAL A 62 34.963 32.876 35.070 1.00 0.00 H new ATOM 0 HA VAL A 62 34.512 30.027 35.528 1.00 0.00 H new ATOM 0 HB VAL A 62 32.430 30.611 36.856 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.630 30.893 38.986 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.424 29.697 37.934 1.00 0.00 H new ATOM 0 HG13 VAL A 62 35.105 31.333 38.092 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.386 32.788 38.005 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.809 33.306 37.070 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.272 32.971 36.238 1.00 0.00 H new ATOM 945 N GLU A 63 32.501 30.106 33.980 1.00 0.00 N ATOM 946 CA GLU A 63 31.545 30.138 32.879 1.00 0.00 C ATOM 947 C GLU A 63 30.145 29.769 33.363 1.00 0.00 C ATOM 948 O GLU A 63 29.982 28.906 34.225 1.00 0.00 O ATOM 949 CB GLU A 63 31.981 29.182 31.767 1.00 0.00 C ATOM 950 CG GLU A 63 31.072 29.209 30.550 1.00 0.00 C ATOM 951 CD GLU A 63 31.556 28.296 29.440 1.00 0.00 C ATOM 952 OE1 GLU A 63 32.541 28.657 28.762 1.00 0.00 O ATOM 953 OE2 GLU A 63 30.951 27.220 29.249 1.00 0.00 O ATOM 0 H GLU A 63 32.647 29.182 34.386 1.00 0.00 H new ATOM 0 HA GLU A 63 31.518 31.154 32.484 1.00 0.00 H new ATOM 0 HB2 GLU A 63 32.995 29.436 31.458 1.00 0.00 H new ATOM 0 HB3 GLU A 63 32.013 28.167 32.164 1.00 0.00 H new ATOM 0 HG2 GLU A 63 30.066 28.913 30.846 1.00 0.00 H new ATOM 0 HG3 GLU A 63 31.006 30.230 30.173 1.00 0.00 H new ATOM 960 N PHE A 64 29.138 30.429 32.801 1.00 0.00 N ATOM 961 CA PHE A 64 27.752 30.173 33.175 1.00 0.00 C ATOM 962 C PHE A 64 26.876 30.010 31.937 1.00 0.00 C ATOM 963 O PHE A 64 27.349 30.131 30.806 1.00 0.00 O ATOM 964 CB PHE A 64 27.218 31.311 34.047 1.00 0.00 C ATOM 965 CG PHE A 64 27.555 32.677 33.521 1.00 0.00 C ATOM 966 CD1 PHE A 64 28.735 33.303 33.887 1.00 0.00 C ATOM 967 CD2 PHE A 64 26.691 33.335 32.660 1.00 0.00 C ATOM 968 CE1 PHE A 64 29.047 34.561 33.405 1.00 0.00 C ATOM 969 CE2 PHE A 64 26.997 34.592 32.175 1.00 0.00 C ATOM 970 CZ PHE A 64 28.177 35.205 32.547 1.00 0.00 C ATOM 0 H PHE A 64 29.256 31.145 32.085 1.00 0.00 H new ATOM 0 HA PHE A 64 27.721 29.244 33.744 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.135 31.219 34.128 1.00 0.00 H new ATOM 0 HB3 PHE A 64 27.623 31.208 35.054 1.00 0.00 H new ATOM 0 HD1 PHE A 64 29.419 32.803 34.556 1.00 0.00 H new ATOM 0 HD2 PHE A 64 25.767 32.859 32.365 1.00 0.00 H new ATOM 0 HE1 PHE A 64 29.970 35.039 33.699 1.00 0.00 H new ATOM 0 HE2 PHE A 64 26.314 35.094 31.506 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.419 36.187 32.168 1.00 0.00 H new ATOM 980 N THR A 65 25.594 29.734 32.159 1.00 0.00 N ATOM 981 CA THR A 65 24.651 29.553 31.063 1.00 0.00 C ATOM 982 C THR A 65 23.377 30.356 31.295 1.00 0.00 C ATOM 983 O THR A 65 22.496 29.937 32.048 1.00 0.00 O ATOM 984 CB THR A 65 24.282 28.069 30.878 1.00 0.00 C ATOM 985 OG1 THR A 65 25.443 27.318 30.505 1.00 0.00 O ATOM 986 CG2 THR A 65 23.204 27.907 29.817 1.00 0.00 C ATOM 0 H THR A 65 25.186 29.631 33.088 1.00 0.00 H new ATOM 0 HA THR A 65 25.144 29.912 30.160 1.00 0.00 H new ATOM 0 HB THR A 65 23.896 27.693 31.825 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.200 26.375 30.391 1.00 0.00 H new ATOM 0 HG21 THR A 65 22.960 26.851 29.704 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.311 28.455 30.119 1.00 0.00 H new ATOM 0 HG23 THR A 65 23.567 28.299 28.867 1.00 0.00 H new ATOM 994 N ILE A 66 23.284 31.511 30.645 1.00 0.00 N ATOM 995 CA ILE A 66 22.115 32.372 30.781 1.00 0.00 C ATOM 996 C ILE A 66 20.829 31.598 30.515 1.00 0.00 C ATOM 997 O ILE A 66 20.595 31.123 29.404 1.00 0.00 O ATOM 998 CB ILE A 66 22.187 33.574 29.820 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.506 34.326 30.006 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.004 34.503 30.046 1.00 0.00 C ATOM 1001 CD1 ILE A 66 23.733 34.806 31.422 1.00 0.00 C ATOM 0 H ILE A 66 24.004 31.872 30.019 1.00 0.00 H new ATOM 0 HA ILE A 66 22.110 32.738 31.808 1.00 0.00 H new ATOM 0 HB ILE A 66 22.144 33.205 28.795 1.00 0.00 H new ATOM 0 HG12 ILE A 66 24.330 33.675 29.715 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.524 35.183 29.333 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.068 35.348 29.360 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.076 33.960 29.867 1.00 0.00 H new ATOM 0 HG23 ILE A 66 21.019 34.868 31.073 1.00 0.00 H new ATOM 0 HD11 ILE A 66 24.687 35.330 31.480 1.00 0.00 H new ATOM 0 HD12 ILE A 66 22.929 35.483 31.710 1.00 0.00 H new ATOM 0 HD13 ILE A 66 23.747 33.951 32.098 1.00 0.00 H new ATOM 1013 N LYS A 67 19.995 31.477 31.542 1.00 0.00 N ATOM 1014 CA LYS A 67 18.729 30.764 31.421 1.00 0.00 C ATOM 1015 C LYS A 67 17.603 31.717 31.031 1.00 0.00 C ATOM 1016 O LYS A 67 17.840 32.892 30.754 1.00 0.00 O ATOM 1017 CB LYS A 67 18.386 30.064 32.737 1.00 0.00 C ATOM 1018 CG LYS A 67 18.545 28.554 32.683 1.00 0.00 C ATOM 1019 CD LYS A 67 19.749 28.091 33.487 1.00 0.00 C ATOM 1020 CE LYS A 67 19.889 26.577 33.457 1.00 0.00 C ATOM 1021 NZ LYS A 67 19.215 25.934 34.619 1.00 0.00 N ATOM 0 H LYS A 67 20.173 31.864 32.469 1.00 0.00 H new ATOM 0 HA LYS A 67 18.836 30.015 30.636 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.025 30.460 33.527 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.358 30.303 33.009 1.00 0.00 H new ATOM 0 HG2 LYS A 67 17.644 28.078 33.069 1.00 0.00 H new ATOM 0 HG3 LYS A 67 18.654 28.236 31.646 1.00 0.00 H new ATOM 0 HD2 LYS A 67 20.653 28.549 33.087 1.00 0.00 H new ATOM 0 HD3 LYS A 67 19.651 28.428 34.519 1.00 0.00 H new ATOM 0 HE2 LYS A 67 19.463 26.191 32.531 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.946 26.310 33.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.825 25.185 35.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.037 26.647 35.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.312 25.521 34.311 1.00 0.00 H new ATOM 1129 N VAL A 74 20.329 35.088 35.405 1.00 0.00 N ATOM 1130 CA VAL A 74 20.722 34.140 36.441 1.00 0.00 C ATOM 1131 C VAL A 74 21.605 33.037 35.869 1.00 0.00 C ATOM 1132 O VAL A 74 21.303 32.466 34.822 1.00 0.00 O ATOM 1133 CB VAL A 74 19.493 33.502 37.113 1.00 0.00 C ATOM 1134 CG1 VAL A 74 18.641 34.565 37.790 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.675 32.720 36.096 1.00 0.00 C ATOM 0 HA VAL A 74 21.284 34.701 37.187 1.00 0.00 H new ATOM 0 HB VAL A 74 19.840 32.807 37.878 1.00 0.00 H new ATOM 0 HG11 VAL A 74 17.777 34.094 38.259 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.233 35.076 38.549 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.302 35.287 37.047 1.00 0.00 H new ATOM 0 HG21 VAL A 74 17.810 32.276 36.589 1.00 0.00 H new ATOM 0 HG22 VAL A 74 18.338 33.392 35.307 1.00 0.00 H new ATOM 0 HG23 VAL A 74 19.290 31.931 35.663 1.00 0.00 H new ATOM 1145 N ALA A 75 22.699 32.742 36.565 1.00 0.00 N ATOM 1146 CA ALA A 75 23.625 31.705 36.128 1.00 0.00 C ATOM 1147 C ALA A 75 23.421 30.417 36.919 1.00 0.00 C ATOM 1148 O ALA A 75 23.585 30.393 38.140 1.00 0.00 O ATOM 1149 CB ALA A 75 25.061 32.188 36.266 1.00 0.00 C ATOM 0 H ALA A 75 22.965 33.207 37.433 1.00 0.00 H new ATOM 0 HA ALA A 75 23.423 31.492 35.078 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.742 31.403 35.936 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.207 33.077 35.652 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.265 32.430 37.309 1.00 0.00 H new ATOM 1155 N THR A 76 23.060 29.347 36.217 1.00 0.00 N ATOM 1156 CA THR A 76 22.831 28.057 36.854 1.00 0.00 C ATOM 1157 C THR A 76 23.939 27.068 36.508 1.00 0.00 C ATOM 1158 O THR A 76 24.442 27.054 35.384 1.00 0.00 O ATOM 1159 CB THR A 76 21.475 27.457 36.437 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.426 28.400 36.684 1.00 0.00 O ATOM 1161 CG2 THR A 76 21.196 26.169 37.197 1.00 0.00 C ATOM 0 H THR A 76 22.920 29.349 35.207 1.00 0.00 H new ATOM 0 HA THR A 76 22.827 28.233 37.930 1.00 0.00 H new ATOM 0 HB THR A 76 21.515 27.229 35.372 1.00 0.00 H new ATOM 0 HG1 THR A 76 19.579 27.923 36.804 1.00 0.00 H new ATOM 0 HG21 THR A 76 20.233 25.764 36.886 1.00 0.00 H new ATOM 0 HG22 THR A 76 21.981 25.443 36.984 1.00 0.00 H new ATOM 0 HG23 THR A 76 21.174 26.375 38.267 1.00 0.00 H new ATOM 1169 N ASP A 77 24.314 26.243 37.479 1.00 0.00 N ATOM 1170 CA ASP A 77 25.362 25.250 37.276 1.00 0.00 C ATOM 1171 C ASP A 77 26.620 25.896 36.704 1.00 0.00 C ATOM 1172 O ASP A 77 26.994 25.645 35.558 1.00 0.00 O ATOM 1173 CB ASP A 77 24.871 24.144 36.340 1.00 0.00 C ATOM 1174 CG ASP A 77 25.575 22.823 36.586 1.00 0.00 C ATOM 1175 OD1 ASP A 77 26.747 22.689 36.174 1.00 0.00 O ATOM 1176 OD2 ASP A 77 24.954 21.924 37.190 1.00 0.00 O ATOM 0 H ASP A 77 23.908 26.242 38.415 1.00 0.00 H new ATOM 0 HA ASP A 77 25.608 24.814 38.244 1.00 0.00 H new ATOM 0 HB2 ASP A 77 23.797 24.010 36.472 1.00 0.00 H new ATOM 0 HB3 ASP A 77 25.030 24.450 35.306 1.00 0.00 H new ATOM 1181 N VAL A 78 27.270 26.729 37.510 1.00 0.00 N ATOM 1182 CA VAL A 78 28.486 27.412 37.085 1.00 0.00 C ATOM 1183 C VAL A 78 29.704 26.507 37.233 1.00 0.00 C ATOM 1184 O VAL A 78 29.839 25.788 38.222 1.00 0.00 O ATOM 1185 CB VAL A 78 28.718 28.702 37.893 1.00 0.00 C ATOM 1186 CG1 VAL A 78 30.019 29.369 37.474 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.543 29.654 37.724 1.00 0.00 C ATOM 0 H VAL A 78 26.975 26.947 38.462 1.00 0.00 H new ATOM 0 HA VAL A 78 28.353 27.670 36.034 1.00 0.00 H new ATOM 0 HB VAL A 78 28.796 28.440 38.948 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.165 30.279 38.056 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.851 28.687 37.651 1.00 0.00 H new ATOM 0 HG13 VAL A 78 29.975 29.620 36.414 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.723 30.561 38.302 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.432 29.911 36.671 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.631 29.173 38.079 1.00 0.00 H new ATOM 1197 N ARG A 79 30.590 26.549 36.242 1.00 0.00 N ATOM 1198 CA ARG A 79 31.797 25.733 36.262 1.00 0.00 C ATOM 1199 C ARG A 79 33.038 26.591 36.032 1.00 0.00 C ATOM 1200 O ARG A 79 33.109 27.352 35.066 1.00 0.00 O ATOM 1201 CB ARG A 79 31.716 24.639 35.195 1.00 0.00 C ATOM 1202 CG ARG A 79 31.243 25.142 33.841 1.00 0.00 C ATOM 1203 CD ARG A 79 31.245 24.032 32.803 1.00 0.00 C ATOM 1204 NE ARG A 79 30.334 24.315 31.697 1.00 0.00 N ATOM 1205 CZ ARG A 79 29.013 24.210 31.788 1.00 0.00 C ATOM 1206 NH1 ARG A 79 28.451 23.831 32.928 1.00 0.00 N ATOM 1207 NH2 ARG A 79 28.250 24.486 30.738 1.00 0.00 N ATOM 0 H ARG A 79 30.494 27.140 35.416 1.00 0.00 H new ATOM 0 HA ARG A 79 31.875 25.268 37.245 1.00 0.00 H new ATOM 0 HB2 ARG A 79 32.699 24.182 35.080 1.00 0.00 H new ATOM 0 HB3 ARG A 79 31.039 23.857 35.539 1.00 0.00 H new ATOM 0 HG2 ARG A 79 30.237 25.552 33.935 1.00 0.00 H new ATOM 0 HG3 ARG A 79 31.889 25.955 33.508 1.00 0.00 H new ATOM 0 HD2 ARG A 79 32.255 23.900 32.416 1.00 0.00 H new ATOM 0 HD3 ARG A 79 30.960 23.093 33.276 1.00 0.00 H new ATOM 0 HE ARG A 79 30.734 24.609 30.806 1.00 0.00 H new ATOM 0 HH11 ARG A 79 29.033 23.619 33.738 1.00 0.00 H new ATOM 0 HH12 ARG A 79 27.436 23.751 32.995 1.00 0.00 H new ATOM 0 HH21 ARG A 79 28.678 24.779 29.860 1.00 0.00 H new ATOM 0 HH22 ARG A 79 27.236 24.405 30.809 1.00 0.00 H new ATOM 1221 N LEU A 80 34.012 26.464 36.926 1.00 0.00 N ATOM 1222 CA LEU A 80 35.251 27.228 36.821 1.00 0.00 C ATOM 1223 C LEU A 80 35.897 27.034 35.453 1.00 0.00 C ATOM 1224 O LEU A 80 35.874 25.936 34.894 1.00 0.00 O ATOM 1225 CB LEU A 80 36.226 26.809 37.923 1.00 0.00 C ATOM 1226 CG LEU A 80 36.265 27.706 39.161 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.775 26.930 40.366 1.00 0.00 C ATOM 1228 CD2 LEU A 80 37.133 28.930 38.906 1.00 0.00 C ATOM 0 H LEU A 80 33.968 25.840 37.731 1.00 0.00 H new ATOM 0 HA LEU A 80 35.009 28.284 36.941 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.972 25.797 38.240 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.229 26.768 37.497 1.00 0.00 H new ATOM 0 HG LEU A 80 35.251 28.043 39.374 1.00 0.00 H new ATOM 0 HD11 LEU A 80 36.796 27.584 41.238 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.114 26.086 40.562 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.781 26.563 40.163 1.00 0.00 H new ATOM 0 HD21 LEU A 80 37.149 29.557 39.798 1.00 0.00 H new ATOM 0 HD22 LEU A 80 38.148 28.613 38.667 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.724 29.498 38.070 1.00 0.00 H new ATOM 1240 N LEU A 81 36.474 28.104 34.920 1.00 0.00 N ATOM 1241 CA LEU A 81 37.129 28.052 33.618 1.00 0.00 C ATOM 1242 C LEU A 81 38.557 27.530 33.747 1.00 0.00 C ATOM 1243 O LEU A 81 39.163 27.568 34.818 1.00 0.00 O ATOM 1244 CB LEU A 81 37.138 29.439 32.972 1.00 0.00 C ATOM 1245 CG LEU A 81 35.864 29.841 32.228 1.00 0.00 C ATOM 1246 CD1 LEU A 81 35.942 31.293 31.782 1.00 0.00 C ATOM 1247 CD2 LEU A 81 35.632 28.926 31.035 1.00 0.00 C ATOM 0 H LEU A 81 36.502 29.019 35.369 1.00 0.00 H new ATOM 0 HA LEU A 81 36.566 27.367 32.984 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.330 30.179 33.749 1.00 0.00 H new ATOM 0 HB3 LEU A 81 37.973 29.487 32.273 1.00 0.00 H new ATOM 0 HG LEU A 81 35.020 29.737 32.910 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.027 31.561 31.254 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.060 31.936 32.654 1.00 0.00 H new ATOM 0 HD13 LEU A 81 36.796 31.424 31.117 1.00 0.00 H new ATOM 0 HD21 LEU A 81 34.721 29.227 30.517 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.478 28.998 30.352 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.530 27.897 31.380 1.00 0.00 H new ATOM 1259 N PRO A 82 39.108 27.031 32.631 1.00 0.00 N ATOM 1260 CA PRO A 82 40.472 26.495 32.593 1.00 0.00 C ATOM 1261 C PRO A 82 41.528 27.584 32.746 1.00 0.00 C ATOM 1262 O PRO A 82 41.384 28.680 32.205 1.00 0.00 O ATOM 1263 CB PRO A 82 40.563 25.853 31.206 1.00 0.00 C ATOM 1264 CG PRO A 82 39.562 26.588 30.383 1.00 0.00 C ATOM 1265 CD PRO A 82 38.444 26.954 31.319 1.00 0.00 C ATOM 0 HA PRO A 82 40.659 25.801 33.412 1.00 0.00 H new ATOM 0 HB2 PRO A 82 41.566 25.950 30.790 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.336 24.788 31.247 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.003 27.478 29.935 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.198 25.967 29.565 1.00 0.00 H new ATOM 0 HD2 PRO A 82 37.985 27.904 31.045 1.00 0.00 H new ATOM 0 HD3 PRO A 82 37.653 26.204 31.313 1.00 0.00 H new